[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)benzoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)benzoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-[(2-phenylacetyl)amino]benzoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(2-phenylacetyl)amino]benzoate Traditional Name: 3-[(2-phenylacetyl)amino]benzoic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H23NO4/c1-17-11-12-18(2)22(13-17)23(27)16-30-25(29)20-9-6-10-21(15-20)26-24(28)14-19-7-4-3-5-8-19/h3-13,15H,14,16H2,1-2H3,(H,26,28)